Atomistry » Chlorine » PDB 7obe-7okc » 7ogn
Atomistry »
  Chlorine »
    PDB 7obe-7okc »
      7ogn »

Chlorine in PDB 7ogn: Crystal Structure of T2R-Ttl -Mebendazole Complex

Protein crystallography data

The structure of Crystal Structure of T2R-Ttl -Mebendazole Complex, PDB code: 7ogn was solved by M.A.Oliva, F.Bonato, J.F.Diaz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.35 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 104.9, 158.01, 179.689, 90, 90, 90
R / Rfree (%) 20.9 / 23.4

Other elements in 7ogn:

The structure of Crystal Structure of T2R-Ttl -Mebendazole Complex also contains other interesting chemical elements:

Calcium (Ca) 4 atoms
Magnesium (Mg) 7 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of T2R-Ttl -Mebendazole Complex (pdb code 7ogn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of T2R-Ttl -Mebendazole Complex, PDB code: 7ogn:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 7ogn

Go back to Chlorine Binding Sites List in 7ogn
Chlorine binding site 1 out of 2 in the Crystal Structure of T2R-Ttl -Mebendazole Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of T2R-Ttl -Mebendazole Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:73.5
occ:1.00
H A:LYS163 2.5 88.6 1.0
HA A:TYR161 2.9 69.0 1.0
HB2 A:LYS163 3.0 93.6 1.0
HG2 A:LYS163 3.1 105.9 1.0
HD2 A:LYS164 3.1 87.3 1.0
N A:LYS163 3.4 87.9 1.0
H A:GLY162 3.4 66.8 1.0
HE2 A:LYS164 3.5 91.5 1.0
N A:GLY162 3.6 67.1 1.0
HD3 A:LYS164 3.6 87.3 1.0
C A:TYR161 3.6 64.0 1.0
CA A:TYR161 3.6 69.0 1.0
CB A:LYS163 3.6 92.9 1.0
CD A:LYS164 3.7 87.9 1.0
CG A:LYS163 3.7 106.0 1.0
H A:LYS164 3.8 82.2 1.0
HG3 A:LYS163 4.0 105.9 1.0
CE A:LYS164 4.0 92.5 1.0
CA A:LYS163 4.0 84.7 1.0
HZ3 A:LYS164 4.1 97.1 1.0
HB3 A:TYR161 4.1 59.7 1.0
O A:TYR161 4.3 57.0 1.0
C A:GLY162 4.4 64.7 1.0
N A:LYS164 4.4 82.0 1.0
CA A:GLY162 4.4 68.7 1.0
CB A:TYR161 4.5 59.2 1.0
HB3 A:LYS163 4.5 93.6 1.0
O A:ASP160 4.6 73.1 1.0
NZ A:LYS164 4.6 97.7 1.0
HD2 A:TYR161 4.6 59.1 1.0
HA3 A:GLY162 4.7 68.6 1.0
C A:LYS163 4.7 73.5 1.0
N A:TYR161 4.7 72.2 1.0
HA A:LYS163 4.9 85.8 1.0
HE3 A:LYS164 4.9 91.5 1.0
HB2 A:LYS164 5.0 65.1 1.0

Chlorine binding site 2 out of 2 in 7ogn

Go back to Chlorine Binding Sites List in 7ogn
Chlorine binding site 2 out of 2 in the Crystal Structure of T2R-Ttl -Mebendazole Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of T2R-Ttl -Mebendazole Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl505

b:69.6
occ:1.00
H C:THR94 2.3 45.4 1.0
O C:HOH709 2.8 62.6 1.0
HA C:ILE93 2.8 53.7 1.0
HH22 C:ARG79 2.9 52.3 1.0
O C:HOH633 3.1 56.9 1.0
N C:THR94 3.1 45.5 1.0
HH21 C:ARG79 3.5 52.3 1.0
O C:THR94 3.5 49.4 1.0
NH2 C:ARG79 3.5 52.1 1.0
OG1 C:THR94 3.5 54.3 1.0
HG23 C:ILE93 3.7 56.6 1.0
CA C:ILE93 3.7 54.2 1.0
O C:LEU92 3.8 60.6 1.0
C C:ILE93 3.9 54.8 1.0
CA C:THR94 4.1 44.2 1.0
HG1 C:THR94 4.1 53.6 1.0
C C:THR94 4.2 48.1 1.0
CB C:THR94 4.4 45.8 1.0
CG2 C:ILE93 4.5 57.3 1.0
N C:ILE93 4.6 50.1 1.0
C C:LEU92 4.6 52.1 1.0
CB C:ILE93 4.6 52.5 1.0
HG12 C:ILE93 4.6 58.5 1.0
CZ C:ARG79 4.7 53.2 1.0
HG22 C:ILE93 4.7 56.6 1.0
HG23 C:THR94 4.8 39.8 1.0
HH12 C:ARG121 4.8 72.8 1.0
HH12 C:ARG79 4.8 56.2 1.0
HD21 C:LEU117 4.8 67.4 1.0
HA C:THR94 4.9 44.1 1.0

Reference:

M.A.Oliva, C.Tosat-Bitrian, L.Barrado-Gil, F.Bonato, I.Galindo, U.Garaigorta, B.Alvarez-Bernad, R.Paris-Ogayar, D.Lucena-Agell, J.F.Gimenez-Abian, I.Garcia-Dorival, J.Urquiza, P.Gastaminza, J.F.Diaz, V.Palomo, C.Alonso. Effect of Clinically Used Microtubule Targeting Drugs on Viral Infection and Transport Function. Int J Mol Sci V. 23 2022.
ISSN: ESSN 1422-0067
PubMed: 35408808
DOI: 10.3390/IJMS23073448
Page generated: Sun Jul 13 04:56:59 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy